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Compound Detail

CHEMBL560418

8-HYDROXYCANNABINOLIC ACID A
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CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc(C)c(O)cc1C(C)(C)O2

Basic Information

ChEMBL ID CHEMBL560418
Name 8-HYDROXYCANNABINOLIC ACID A
Phase Preclinical
Structure Type MOL
InChI Key DMVDJDMFQCOKJW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
5.13
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H26O5
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.64

Activity Summary

IC50 3 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
IC50 5.46 5.46 3500.0 1
Escherichia coli
CHEMBL354
IC50 4.27 4.27 54000.0 1
Pichia kudriavzevii
CHEMBL612841
IC50 4.27 4.27 54000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19344127 10.1021/np900067k Staphylococcus aureus 2
19344127 10.1021/np900067k Pichia kudriavzevii 1
19344127 10.1021/np900067k Escherichia coli 1
19344127 10.1021/np900067k Candida albicans 1
19344127 10.1021/np900067k Mycobacterium intracellulare 1
19344127 10.1021/np900067k Vero 1

Data from ChEMBL 36 via Core Engine